Geometry & MOs

Info

ID:	63394
PubChem CID:	26758236
Reduced:	ClN2F3O5H14C20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-317.49
Dipole, Da:	6.86
IP(EA), eV:	-9.37(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations